Geometry & MOs

Info

ID:	165476
PubChem CID:	74554033
Reduced:	ON6C19H30 (1)
Stoich.:	AB6C19D30 (1)
Weight, g/mol:	409.159528
ΔH_f, kcal/mol:	76.73
Dipole, Da:	21.9
IP(EA), eV:	-4.72(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-chloro-6-fluorophenyl)-2-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CCN(CC1=[N+](C=CN1)C)C(=O)C2=CN=C(C=C2)N3CCC(C3)[NH+](C)C

DOS

IR

Vibrations